EGF-00975 Red

CN1C(=O)NN2c3c(c(O)n(-c4ccc(Br)cc4)c3O)C(c3nn[nH]n3)C12C
0.393
Platform Score
2D Structure
EGF-00975
C16H15BrN8O3 | Exact mass: 446.045
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
447
MW
4
HBD
1.4
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight447.30 Da
TPSA135.4 A^2
HBD4
HBA8
SlogP1.40
Fsp30.250
Rotatable Bonds2
Rings5 (3 aromatic)
QED0.467
SA Score4.37 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H15BrN8O3
Exact Mass446.045
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes
Retrosynthetic Analysis

Retrosynthetic analysis not yet run for this compound.

About

Retrosynthetic analysis decomposes the target molecule into purchasable building blocks using learned reaction templates.

A feasible route means the molecule can theoretically be synthesized from commercially available starting materials.

Min steps indicates the shortest synthesis route found.